SCHEMBL10108568

SCHEMBL10108568

CC(=O)OCc1c(N=O)nc(C)n1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA2 P00918 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10108284 0.83 MAPT (0.35) CYP1A2CYP2C19ALDH1A1CA2
SCHEMBL9291606 0.79 CYP1A2 (0.36) CYP1A2CYP2C19ALDH1A1LMNAHSD17B10
SCHEMBL12824764 0.78 CYP1A2 (0.35) CYP1A2CYP2C19ALDH1A1LMNAHSD17B10
SCHEMBL11982518 0.73 KMT2A (0.50) ALDH1A1LMNAKMT2AMEN1
SCHEMBL9291884 0.66 CYP1A2 (0.33) CYP1A2CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL12888807 0.61 ALDH1A1 (0.41) CYP1A2CYP2C19ALDH1A1LMNAHSD17B10
SCHEMBL2111888 0.60 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1LMNAHSD17B10
SCHEMBL13034117 0.59 ALDH1A1 (0.48) CYP1A2CYP2C19ALDH1A1LMNAHSD17B10
SCHEMBL8897496 0.58 HSD17B10 (0.51) CYP1A2CYP2C19ALDH1A1LMNAHSD17B10
SCHEMBL9685052 0.57 ALDH1A1 (0.50) CYP1A2CYP2C19ALDH1A1LMNAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CYP1A2 1095/4885CYP2C19 570/4885ALDH1A1 3257/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.